RefChem:417376
TL;DR: RefChem:417376 (CAS 5557-16-4) is a chemical compound with molecular formula C22H20N4O13S4 and molecular weight 675.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: 1,5-Naphthalenedisulfonic acid, 2-((4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-, 1,5-Naphthalenedisulfonic acid, 2-(2-(4,5-dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)diazenyl)-, 1,5-Naphthalenedisulfonic acid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]azo]-, 1,5-Naphthalenedisulfonic acid, 2-[2-[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]-1H-pyrazol-4-yl]diazenyl]-, 2-((4,5-Dihydro-3-methyl-5-oxo-1-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)-1H-pyrazol-4-yl)azo)-1,5-naphthalenedisulfonic acid
| Molecular Formula | C22H20N4O13S4 |
|---|---|
| Molecular Weight | 675.99 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 297.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 675.99097 |
| Heavy Atoms | 43 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 5557-16-4 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C3=C(C=C2)C(=CC=C3)S(=O)(=O)O)S(=O)(=O)O)C4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O |
| InChIKey | HSLDAOIDTZYRAD-UHFFFAOYSA-N |
Product Overview
RefChem:417376 (CAS 5557-16-4), with molecular formula C22H20N4O13S4 and molecular weight 675.99 g/mol. IUPAC: 2-[[3-methyl-5-oxo-1-[4-(2-sulfooxyethylsulfonyl)phenyl]-4H-pyrazol-4-yl]diazenyl]naphthalene-1,5-disulfonic acid.
Chemical Property Profile of RefChem:417376
Property Insights of RefChem:417376
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:417376. The TPSA of 297.0 Ų indicates high polarity, suggesting RefChem:417376 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:417376 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:417376?
The CAS number of RefChem:417376 is 5557-16-4.
What is the molecular formula of RefChem:417376?
The molecular formula of RefChem:417376 is C22H20N4O13S4.
What is the molecular weight of RefChem:417376?
The molecular weight of RefChem:417376 is 675.99 g/mol.
Where can I buy RefChem:417376?
You can request a quote for RefChem:417376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:417376?
Yes, KEHONG BIO provides custom synthesis services for RefChem:417376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.